2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C15H18N2O5S — CID 95075806

IUPAC2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H18N2O5S/c1-20-14-9-11(13-6-7-16-22-13)4-5-15(14)23(18,19)17-10-12-3-2-8-21-12/h4-7,9,12,17H,2-3,8,10H2,1H3/t12-/m1/s1
InChIKeyXDAHZHBAOVFJGM-GFCCVEGCSA-N
MW338.38 g/mol
LogP1.81
Rot. Bonds6

About 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 95075806) has the molecular formula C15H18N2O5S and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID95075806
Molecular FormulaC15H18N2O5S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1
InChIInChI=1S/C15H18N2O5S/c1-20-14-9-11(13-6-7-16-22-13)4-5-15(14)23(18,19)17-10-12-3-2-8-21-12/h4-7,9,12,17H,2-3,8,10H2,1H3/t12-/m1/s1
InChIKeyXDAHZHBAOVFJGM-GFCCVEGCSA-N
XLogP1.81
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 19682484
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 53079495
2,3-dichloro-4-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 900517
4-methoxy-2,3-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 95969874
4-chloro-2,5-dimethoxy-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2968373
5-tert-butyl-2-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 850067
N-[(2-chlorophenyl)methyl]-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094862
2-methoxy-N-(2-methylphenyl)-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094896
N-(4-ethylphenyl)-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094876
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991374
4-methoxy-N-(oxolan-2-ylmethyl)-3-propan-2-ylbenzenesulfonamide
CID 6471718

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 95075806) is 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is COc1cc(-c2ccno2)ccc1S(=O)(=O)NC[C@H]1CCCO1.
What is the InChIKey of 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is XDAHZHBAOVFJGM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-20-14-9-11(13-6-7-16-22-13)4-5-15(14)23(18,19)17-10-12-3-2-8-21-12/h4-7,9,12,17H,2-3,8,10H2,1H3/t12-/m1/s1.
What are the key properties of 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 338.38 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1,2-oxazol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 95075806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).